SCHEMBL4924634

SCHEMBL4924634

c1ccc(COc2ccc(CNc3ncnc4nc[nH]c34)cc2)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.79
TSHR P16473 6/20 0.79
MAPK1 P28482 2/20 0.79
CYP1A2 P05177 2/20 0.79
CYP2D6 P10635 1/20 0.79
CDK2 P24941 1/20 0.79
HTT P42858 4/20 0.73
TP53 P04637 3/20 0.73
MEN1 O00255 3/20 0.73
KMT2A Q03164 3/20 0.73
MAPT P10636 2/20 0.73
NPC1 O15118 1/20 0.73
HPGD P15428 1/20 0.73
RAB9A P51151 1/20 0.73
PRMT1 Q99873 1/20 0.64
TAAR1 Q96RJ0 1/20 0.60
CDC7 O00311 2/20 0.59
DBF4 Q9UBU7 2/20 0.59
KDR P35968 2/20 0.59
AURKA O14965 1/20 0.59

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
6-Benzylaminopurine SCHEMBL37358 0.89 LMNA (1.00) LMNATSHRMAPK1CYP1A2CYP2D6
6-Benzylaminopurine SCHEMBL29349525 0.89 LMNA (1.00) LMNATSHRMAPK1CYP1A2CYP2D6
SCHEMBL28752666 0.88 LMNA (0.78) LMNATSHRMAPK1CYP1A2CYP2D6
6-Benzylaminopurine SCHEMBL30241517 0.87 LMNA (0.97) LMNATSHRMAPK1CYP1A2CYP2D6
6-Benzylaminopurine SCHEMBL11477809 0.87 LMNA (0.97) LMNATSHRMAPK1CYP1A2CYP2D6
6-Benzylaminopurine SCHEMBL8378682 0.87 LMNA (0.97) LMNATSHRMAPK1CYP1A2CYP2D6
6-Benzylaminopurine SCHEMBL218733 0.87 LMNA (0.97) LMNATSHRMAPK1CYP1A2CYP2D6
SCHEMBL4921531 0.84 PRMT1 (0.72) LMNATSHRMAPK1CYP1A2CYP2D6
SCHEMBL723441 0.83 PRMT1 (0.74) LMNATSHRMAPK1CYP1A2CYP2D6
SCHEMBL4924627 0.82 MEN1 (0.52) LMNATSHRMAPK1CYP1A2CYP2D6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050043328-A1 Heterocyclic compound based on n6-substituted adenine, methods, of their preparation, their use for preparation of drugs, cosmetic preparations and growth regulators, pharmaceutical preparations, cosmetic preparations and growth regulators containing these compounds USTAV EPERIMENTALNI BOTANIKY AKADEMI VED CESKE REPUBILIKY (CZ) 2005-02-24 US claimed
CN-1556808-A Based on N6Heterocyclic compounds of substituted adenine, process for their preparation, their use for the preparation of medicaments, cosmetic preparations and growth regulators, pharmaceutical preparations, cosmetic preparations and growth regulators containing these compounds �ݿ˹��͹���������ʵ��ֲ��ѧ�� 2004-12-22 CN claimed
EP-1419157-A2 HETEROCYCLIC COMPOUND BASED ON N sp 6 /sp −SUBSTITUTED ADENINE, METHODS OF THEIR PREPARATION, THEIR USE FOR PREPARATION OF DRUGS, COSMETIC PREPARATIONS AND GROWTH REGULATORS, PHARMACEUTICAL PREPARATIONS, COSMETIC PREPARATIONS AND GROWTH REGULATORS CONTAINING THESE Ustav Experimentalni Botaniky Akademie ved Ceské Republiky (CZ) 2004-05-19 EP claimed
WO-2003040144-A2 HETEROCYCLIC COMPOUND BASED ON N6-SUBSTITUTED ADENINE, METHODS OF THEIR PREPARATION, THEIR USE FOR PREPARATION OF DRUGS, COSMETIC PREPARATIONS AND GROWTH REGULATORS, PHARMACEUTICAL PREPARATIONS, COSMETIC PREPARATIONS AND GROWTH REGULATORS CONTAINING THESE COMPOUNDS USTAV EXPERIMENTALNI BOTANIKY AKADEMIE VED CESKE REPUBLIKY (CZ) 2003-05-15 WO claimed
US-8552013-B2 Heterocyclic compounds based on N6-substituted adenine, methods of their preparation, their use for preparation of drugs, cosmetic preparations and growth regulators, pharmaceutical preparations, cosmetic preparations and growth regulators containing these compounds USTAV EXPERIMENTALNI BOTANIKY AKADEMIE VED CESKE REPUBLIKY (CZ) 2013-10-08 US disclosed
US-20080014227-A1 HETEROCYCLIC COMPOUNDS BASED ON N6-SUBSTITUTED ADENINE, METHODS OF THEIR PREPARATION, THEIR USE FOR PREPARATION OF DRUGS, COSMETIC PREPARATIONS AND GROWTH REGULATORS, PHARMACEUTICAL PREPARATIONS, COSMETIC PREPARATIONS AND GROWTH REGULATORS CONTAINING THESE COMPOUNDS USTAV EXPERIMENTALNI BOTANIKY AKADEMIE VED CESKE REPUBLIKY (CZ) 2008-01-17 US disclosed
US-7279482-B2 Heterocyclic compound based on N6-substituted adenine, methods, of their preparation, their use for preparation of drugs, cosmetic preparations and growth regulators, pharmaceutical preparations, cosmetic preparations and growth regulators containing these compounds Ústav experimentálni botaniky Akademie ved Ceské republiky (CZ) 2007-10-09 US disclosed
US-20050043328-A1 Heterocyclic compound based on n6-substituted adenine, methods, of their preparation, their use for preparation of drugs, cosmetic preparations and growth regulators, pharmaceutical preparations, cosmetic preparations and growth regulators containing these compounds USTAV EPERIMENTALNI BOTANIKY AKADEMI VED CESKE REPUBILIKY (CZ) 2005-02-24 US disclosed
CN-1556808-A Based on N6Heterocyclic compounds of substituted adenine, process for their preparation, their use for the preparation of medicaments, cosmetic preparations and growth regulators, pharmaceutical preparations, cosmetic preparations and growth regulators containing these compounds �ݿ˹��͹���������ʵ��ֲ��ѧ�� 2004-12-22 CN disclosed
EP-1419157-A2 HETEROCYCLIC COMPOUND BASED ON N sp 6 /sp −SUBSTITUTED ADENINE, METHODS OF THEIR PREPARATION, THEIR USE FOR PREPARATION OF DRUGS, COSMETIC PREPARATIONS AND GROWTH REGULATORS, PHARMACEUTICAL PREPARATIONS, COSMETIC PREPARATIONS AND GROWTH REGULATORS CONTAINING THESE Ustav Experimentalni Botaniky Akademie ved Ceské Republiky (CZ) 2004-05-19 EP disclosed
WO-2003040144-A2 HETEROCYCLIC COMPOUND BASED ON N6-SUBSTITUTED ADENINE, METHODS OF THEIR PREPARATION, THEIR USE FOR PREPARATION OF DRUGS, COSMETIC PREPARATIONS AND GROWTH REGULATORS, PHARMACEUTICAL PREPARATIONS, COSMETIC PREPARATIONS AND GROWTH REGULATORS CONTAINING THESE COMPOUNDS USTAV EXPERIMENTALNI BOTANIKY AKADEMIE VED CESKE REPUBLIKY (CZ) 2003-05-15 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080014227-A1 HETEROCYCLIC COMPOUNDS BASED ON N6-SUBSTITUTED ADENINE, METHODS OF THEIR PREPARATION, THEIR USE FOR PREPARATION OF DRUGS, COSMETIC PREPARATIONS AND GROWTH REGULATORS, PHARMACEUTICAL PREPARATIONS, COSMETIC PREPARATIONS AND GROWTH REGULATORS CONTAINING THESE COMPOUNDS TYMP, CCNB1, CCNA2 LMNA 1313/4885TSHR 1108/4885MAPK1 1983/4885
US-20050043328-A1 Heterocyclic compound based on n6-substituted adenine, methods, of their preparation, their use for preparation of drugs, cosmetic preparations and growth regulators, pharmaceutical preparations, cosmetic preparations and growth regulators containing these compounds ATIC, UMPS, CCNB1 LMNA 426/4885TSHR 1625/4885MAPK1 2376/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.